USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= 0.084 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.402 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00178) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00171 USER MOD Single : A 58 MET CE :methyl -115:sc= -2.04 (180deg=-5.52!) USER MOD Single : A 60 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00213 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= -0.489 (180deg=-0.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.298 1.553 6.931 1.00 0.00 N ATOM 320 CA VAL A 25 4.939 0.339 6.208 1.00 0.00 C ATOM 321 C VAL A 25 6.037 -0.714 6.323 1.00 0.00 C ATOM 322 O VAL A 25 6.773 -0.967 5.369 1.00 0.00 O ATOM 323 CB VAL A 25 4.673 0.630 4.719 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.119 -0.603 4.023 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.723 1.808 4.567 1.00 0.00 C ATOM 0 HA VAL A 25 4.025 -0.043 6.663 1.00 0.00 H new ATOM 0 HB VAL A 25 5.619 0.891 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.938 -0.377 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.838 -1.418 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.183 -0.899 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.547 1.999 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.777 1.578 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.164 2.693 5.027 1.00 0.00 H new ATOM 335 N SER A 26 6.141 -1.326 7.499 1.00 0.00 N ATOM 336 CA SER A 26 7.149 -2.351 7.739 1.00 0.00 C ATOM 337 C SER A 26 6.871 -3.595 6.901 1.00 0.00 C ATOM 338 O SER A 26 5.871 -3.660 6.185 1.00 0.00 O ATOM 339 CB SER A 26 7.189 -2.720 9.224 1.00 0.00 C ATOM 340 OG SER A 26 5.909 -2.584 9.817 1.00 0.00 O ATOM 0 H SER A 26 5.540 -1.130 8.299 1.00 0.00 H new ATOM 0 HA SER A 26 8.118 -1.947 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.539 -3.746 9.338 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.903 -2.080 9.742 1.00 0.00 H new ATOM 0 HG SER A 26 5.960 -2.827 10.765 1.00 0.00 H new ATOM 346 N ALA A 27 7.759 -4.578 6.996 1.00 0.00 N ATOM 347 CA ALA A 27 7.608 -5.820 6.246 1.00 0.00 C ATOM 348 C ALA A 27 6.299 -6.519 6.602 1.00 0.00 C ATOM 349 O ALA A 27 5.687 -7.174 5.759 1.00 0.00 O ATOM 350 CB ALA A 27 8.788 -6.742 6.509 1.00 0.00 C ATOM 0 H ALA A 27 8.591 -4.539 7.585 1.00 0.00 H new ATOM 0 HA ALA A 27 7.583 -5.574 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.662 -7.665 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.710 -6.250 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.839 -6.973 7.573 1.00 0.00 H new ATOM 356 N MET A 28 5.878 -6.374 7.853 1.00 0.00 N ATOM 357 CA MET A 28 4.642 -6.991 8.320 1.00 0.00 C ATOM 358 C MET A 28 3.425 -6.287 7.727 1.00 0.00 C ATOM 359 O MET A 28 2.389 -6.910 7.495 1.00 0.00 O ATOM 360 CB MET A 28 4.573 -6.955 9.848 1.00 0.00 C ATOM 361 CG MET A 28 3.322 -7.603 10.416 1.00 0.00 C ATOM 362 SD MET A 28 3.460 -9.398 10.528 1.00 0.00 S ATOM 363 CE MET A 28 3.941 -9.593 12.243 1.00 0.00 C ATOM 0 H MET A 28 6.374 -5.835 8.562 1.00 0.00 H new ATOM 0 HA MET A 28 4.636 -8.029 7.989 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.450 -7.459 10.255 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.618 -5.918 10.181 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.124 -7.195 11.407 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.468 -7.346 9.789 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.066 -10.652 12.468 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.882 -9.071 12.419 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.168 -9.174 12.888 1.00 0.00 H new ATOM 373 N PHE A 29 3.560 -4.988 7.483 1.00 0.00 N ATOM 374 CA PHE A 29 2.471 -4.201 6.917 1.00 0.00 C ATOM 375 C PHE A 29 2.161 -4.646 5.492 1.00 0.00 C ATOM 376 O PHE A 29 1.001 -4.837 5.128 1.00 0.00 O ATOM 377 CB PHE A 29 2.827 -2.714 6.933 1.00 0.00 C ATOM 378 CG PHE A 29 1.678 -1.817 6.571 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.222 -1.746 5.264 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.053 -1.044 7.537 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.165 -0.922 4.928 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.005 -0.219 7.207 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.450 -0.157 5.900 1.00 0.00 C ATOM 0 H PHE A 29 4.412 -4.458 7.668 1.00 0.00 H new ATOM 0 HA PHE A 29 1.584 -4.362 7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.188 -2.446 7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.648 -2.538 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.698 -2.342 4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.397 -1.087 8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.180 -0.876 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.484 0.377 7.970 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.276 0.488 5.639 1.00 0.00 H new ATOM 393 N ILE A 30 3.207 -4.811 4.688 1.00 0.00 N ATOM 394 CA ILE A 30 3.046 -5.236 3.302 1.00 0.00 C ATOM 395 C ILE A 30 2.415 -6.622 3.225 1.00 0.00 C ATOM 396 O ILE A 30 1.433 -6.829 2.512 1.00 0.00 O ATOM 397 CB ILE A 30 4.396 -5.254 2.557 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.123 -3.919 2.737 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.184 -5.552 1.080 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.612 -4.067 2.961 1.00 0.00 C ATOM 0 H ILE A 30 4.174 -4.657 4.972 1.00 0.00 H new ATOM 0 HA ILE A 30 2.388 -4.512 2.822 1.00 0.00 H new ATOM 0 HB ILE A 30 5.016 -6.044 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.956 -3.302 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.687 -3.389 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.147 -5.561 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.706 -6.525 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.548 -4.783 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.062 -3.081 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.788 -4.657 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.061 -4.569 2.104 1.00 0.00 H new ATOM 412 N PHE A 31 2.985 -7.568 3.965 1.00 0.00 N ATOM 413 CA PHE A 31 2.477 -8.935 3.980 1.00 0.00 C ATOM 414 C PHE A 31 1.084 -8.986 4.603 1.00 0.00 C ATOM 415 O PHE A 31 0.258 -9.820 4.231 1.00 0.00 O ATOM 416 CB PHE A 31 3.430 -9.847 4.756 1.00 0.00 C ATOM 417 CG PHE A 31 2.976 -11.278 4.817 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.216 -12.141 3.760 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.309 -11.759 5.932 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.798 -13.458 3.814 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.890 -13.075 5.992 1.00 0.00 C ATOM 422 CZ PHE A 31 2.135 -13.925 4.931 1.00 0.00 C ATOM 0 H PHE A 31 3.798 -7.413 4.561 1.00 0.00 H new ATOM 0 HA PHE A 31 2.410 -9.286 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.416 -9.807 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.539 -9.465 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.735 -11.781 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.114 -11.098 6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.990 -14.121 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.372 -13.438 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.808 -14.953 4.975 1.00 0.00 H new ATOM 432 N SER A 32 0.833 -8.089 5.550 1.00 0.00 N ATOM 433 CA SER A 32 -0.458 -8.030 6.225 1.00 0.00 C ATOM 434 C SER A 32 -1.491 -7.285 5.382 1.00 0.00 C ATOM 435 O SER A 32 -2.689 -7.348 5.658 1.00 0.00 O ATOM 436 CB SER A 32 -0.312 -7.351 7.588 1.00 0.00 C ATOM 437 OG SER A 32 -1.577 -7.132 8.187 1.00 0.00 O ATOM 0 H SER A 32 1.507 -7.392 5.868 1.00 0.00 H new ATOM 0 HA SER A 32 -0.807 -9.053 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.301 -7.970 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.208 -6.400 7.470 1.00 0.00 H new ATOM 0 HG SER A 32 -1.456 -6.698 9.058 1.00 0.00 H new ATOM 443 N GLU A 33 -1.025 -6.577 4.357 1.00 0.00 N ATOM 444 CA GLU A 33 -1.917 -5.821 3.483 1.00 0.00 C ATOM 445 C GLU A 33 -2.066 -6.506 2.128 1.00 0.00 C ATOM 446 O GLU A 33 -3.120 -6.432 1.498 1.00 0.00 O ATOM 447 CB GLU A 33 -1.390 -4.398 3.293 1.00 0.00 C ATOM 448 CG GLU A 33 -2.443 -3.421 2.795 1.00 0.00 C ATOM 449 CD GLU A 33 -1.849 -2.290 1.978 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.954 -2.564 1.150 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.278 -1.133 2.165 1.00 0.00 O ATOM 0 H GLU A 33 -0.037 -6.511 4.112 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.898 -5.779 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.991 -4.037 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.561 -4.418 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.173 -3.957 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.980 -3.005 3.648 1.00 0.00 H new ATOM 458 N GLU A 34 -1.004 -7.171 1.684 1.00 0.00 N ATOM 459 CA GLU A 34 -1.019 -7.866 0.402 1.00 0.00 C ATOM 460 C GLU A 34 -1.714 -9.219 0.521 1.00 0.00 C ATOM 461 O GLU A 34 -2.327 -9.699 -0.432 1.00 0.00 O ATOM 462 CB GLU A 34 0.408 -8.056 -0.116 1.00 0.00 C ATOM 463 CG GLU A 34 0.524 -7.956 -1.628 1.00 0.00 C ATOM 464 CD GLU A 34 1.893 -7.486 -2.078 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.247 -6.325 -1.788 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.612 -8.281 -2.721 1.00 0.00 O ATOM 0 H GLU A 34 -0.123 -7.243 2.193 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.577 -7.254 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.054 -7.306 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.775 -9.031 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.315 -8.930 -2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.234 -7.267 -2.002 1.00 0.00 H new ATOM 473 N LYS A 35 -1.612 -9.830 1.697 1.00 0.00 N ATOM 474 CA LYS A 35 -2.230 -11.130 1.938 1.00 0.00 C ATOM 475 C LYS A 35 -3.677 -10.971 2.399 1.00 0.00 C ATOM 476 O LYS A 35 -4.506 -11.854 2.183 1.00 0.00 O ATOM 477 CB LYS A 35 -1.431 -11.910 2.984 1.00 0.00 C ATOM 478 CG LYS A 35 -0.006 -12.217 2.556 1.00 0.00 C ATOM 479 CD LYS A 35 0.068 -13.506 1.752 1.00 0.00 C ATOM 480 CE LYS A 35 1.175 -13.451 0.712 1.00 0.00 C ATOM 481 NZ LYS A 35 1.831 -14.775 0.527 1.00 0.00 N ATOM 0 H LYS A 35 -1.108 -9.447 2.497 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.228 -11.685 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.408 -11.338 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.947 -12.846 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.382 -11.392 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.630 -12.299 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.241 -14.346 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.888 -13.684 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.763 -13.114 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.921 -12.716 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.591 -14.690 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.232 -15.093 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.129 -15.467 0.197 1.00 0.00 H new ATOM 495 N ARG A 36 -3.971 -9.842 3.037 1.00 0.00 N ATOM 496 CA ARG A 36 -5.318 -9.570 3.528 1.00 0.00 C ATOM 497 C ARG A 36 -6.335 -9.613 2.393 1.00 0.00 C ATOM 498 O ARG A 36 -7.335 -10.326 2.468 1.00 0.00 O ATOM 499 CB ARG A 36 -5.365 -8.205 4.218 1.00 0.00 C ATOM 500 CG ARG A 36 -6.729 -7.860 4.793 1.00 0.00 C ATOM 501 CD ARG A 36 -6.986 -6.362 4.755 1.00 0.00 C ATOM 502 NE ARG A 36 -5.839 -5.596 5.237 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.797 -4.266 5.268 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.832 -3.551 4.847 1.00 0.00 N ATOM 505 NH2 ARG A 36 -4.714 -3.648 5.722 1.00 0.00 N ATOM 0 H ARG A 36 -3.295 -9.101 3.226 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.576 -10.346 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.627 -8.187 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.077 -7.435 3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.505 -8.378 4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.792 -8.215 5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.220 -6.060 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.859 -6.129 5.364 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.023 -6.110 5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.667 -4.020 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.793 -2.532 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.915 -4.192 6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.681 -2.629 5.746 1.00 0.00 H new ATOM 519 N ARG A 37 -6.074 -8.843 1.341 1.00 0.00 N ATOM 520 CA ARG A 37 -6.967 -8.793 0.189 1.00 0.00 C ATOM 521 C ARG A 37 -7.145 -10.177 -0.427 1.00 0.00 C ATOM 522 O ARG A 37 -8.198 -10.490 -0.983 1.00 0.00 O ATOM 523 CB ARG A 37 -6.424 -7.820 -0.861 1.00 0.00 C ATOM 524 CG ARG A 37 -7.507 -7.003 -1.549 1.00 0.00 C ATOM 525 CD ARG A 37 -7.488 -7.203 -3.057 1.00 0.00 C ATOM 526 NE ARG A 37 -6.785 -6.123 -3.745 1.00 0.00 N ATOM 527 CZ ARG A 37 -6.330 -6.211 -4.992 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.502 -7.326 -5.692 1.00 0.00 N ATOM 529 NH2 ARG A 37 -5.702 -5.181 -5.543 1.00 0.00 N ATOM 0 H ARG A 37 -5.251 -8.245 1.263 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.940 -8.443 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.716 -7.142 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.871 -8.382 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.483 -7.288 -1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.367 -5.947 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.009 -8.154 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.511 -7.263 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.634 -5.250 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.985 -8.121 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.151 -7.387 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.568 -4.321 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.353 -5.249 -6.499 1.00 0.00 H new ATOM 543 N GLN A 38 -6.108 -11.003 -0.323 1.00 0.00 N ATOM 544 CA GLN A 38 -6.149 -12.355 -0.869 1.00 0.00 C ATOM 545 C GLN A 38 -6.898 -13.297 0.068 1.00 0.00 C ATOM 546 O GLN A 38 -7.531 -14.255 -0.376 1.00 0.00 O ATOM 547 CB GLN A 38 -4.730 -12.873 -1.107 1.00 0.00 C ATOM 548 CG GLN A 38 -4.049 -12.252 -2.315 1.00 0.00 C ATOM 549 CD GLN A 38 -2.653 -12.797 -2.541 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.410 -13.995 -2.398 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.724 -11.916 -2.894 1.00 0.00 N ATOM 0 H GLN A 38 -5.229 -10.759 0.134 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.680 -12.321 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.127 -12.677 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.764 -13.955 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.655 -12.435 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.996 -11.171 -2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.969 -10.932 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.765 -12.224 -3.058 1.00 0.00 H new ATOM 560 N LEU A 39 -6.820 -13.020 1.366 1.00 0.00 N ATOM 561 CA LEU A 39 -7.490 -13.844 2.364 1.00 0.00 C ATOM 562 C LEU A 39 -8.989 -13.566 2.384 1.00 0.00 C ATOM 563 O LEU A 39 -9.799 -14.484 2.511 1.00 0.00 O ATOM 564 CB LEU A 39 -6.894 -13.588 3.750 1.00 0.00 C ATOM 565 CG LEU A 39 -5.659 -14.426 4.089 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.954 -13.865 5.314 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.047 -15.879 4.313 1.00 0.00 C ATOM 0 H LEU A 39 -6.300 -12.231 1.750 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.337 -14.890 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.631 -12.533 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.661 -13.780 4.500 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.969 -14.381 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.078 -14.473 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.642 -12.839 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.636 -13.880 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.157 -16.460 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.756 -15.943 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.507 -16.276 3.408 1.00 0.00 H new ATOM 579 N GLN A 40 -9.353 -12.294 2.256 1.00 0.00 N ATOM 580 CA GLN A 40 -10.755 -11.895 2.258 1.00 0.00 C ATOM 581 C GLN A 40 -11.494 -12.505 1.071 1.00 0.00 C ATOM 582 O GLN A 40 -12.644 -12.928 1.193 1.00 0.00 O ATOM 583 CB GLN A 40 -10.873 -10.370 2.224 1.00 0.00 C ATOM 584 CG GLN A 40 -11.626 -9.793 3.412 1.00 0.00 C ATOM 585 CD GLN A 40 -11.337 -8.320 3.625 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.097 -8.005 3.981 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -12.219 -7.474 3.472 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.695 -11.522 2.150 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.213 -12.265 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.873 -9.937 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.378 -10.073 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.697 -9.931 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.357 -10.346 4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.159 -7.761 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.010 -6.487 3.620 1.00 0.00 H new ATOM 596 N GLU A 41 -10.826 -12.547 -0.078 1.00 0.00 N ATOM 597 CA GLU A 41 -11.419 -13.106 -1.287 1.00 0.00 C ATOM 598 C GLU A 41 -11.646 -14.606 -1.139 1.00 0.00 C ATOM 599 O GLU A 41 -12.723 -15.116 -1.452 1.00 0.00 O ATOM 600 CB GLU A 41 -10.520 -12.832 -2.495 1.00 0.00 C ATOM 601 CG GLU A 41 -10.562 -11.388 -2.970 1.00 0.00 C ATOM 602 CD GLU A 41 -9.596 -11.121 -4.107 1.00 0.00 C ATOM 603 OE1 GLU A 41 -8.587 -11.850 -4.212 1.00 0.00 O ATOM 604 OE2 GLU A 41 -9.846 -10.183 -4.891 1.00 0.00 O ATOM 0 H GLU A 41 -9.874 -12.201 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.384 -12.624 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.493 -13.092 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.819 -13.484 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.574 -11.145 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.327 -10.728 -2.135 1.00 0.00 H new ATOM 611 N GLU A 42 -10.626 -15.310 -0.660 1.00 0.00 N ATOM 612 CA GLU A 42 -10.715 -16.753 -0.469 1.00 0.00 C ATOM 613 C GLU A 42 -11.663 -17.093 0.676 1.00 0.00 C ATOM 614 O GLU A 42 -12.326 -18.130 0.659 1.00 0.00 O ATOM 615 CB GLU A 42 -9.329 -17.338 -0.190 1.00 0.00 C ATOM 616 CG GLU A 42 -8.413 -17.338 -1.403 1.00 0.00 C ATOM 617 CD GLU A 42 -7.600 -18.613 -1.520 1.00 0.00 C ATOM 618 OE1 GLU A 42 -7.399 -19.285 -0.487 1.00 0.00 O ATOM 619 OE2 GLU A 42 -7.165 -18.938 -2.644 1.00 0.00 O ATOM 0 H GLU A 42 -9.728 -14.905 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.109 -17.192 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.858 -16.768 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.441 -18.361 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.011 -17.209 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.737 -16.485 -1.343 1.00 0.00 H new ATOM 626 N ARG A 43 -11.722 -16.211 1.669 1.00 0.00 N ATOM 627 CA ARG A 43 -12.590 -16.417 2.823 1.00 0.00 C ATOM 628 C ARG A 43 -13.393 -15.156 3.131 1.00 0.00 C ATOM 629 O ARG A 43 -13.014 -14.365 3.994 1.00 0.00 O ATOM 630 CB ARG A 43 -11.762 -16.821 4.044 1.00 0.00 C ATOM 631 CG ARG A 43 -10.894 -18.048 3.811 1.00 0.00 C ATOM 632 CD ARG A 43 -10.904 -18.974 5.016 1.00 0.00 C ATOM 633 NE ARG A 43 -12.048 -19.884 4.999 1.00 0.00 N ATOM 634 CZ ARG A 43 -12.119 -20.970 4.233 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.115 -21.288 3.424 1.00 0.00 N ATOM 636 NH2 ARG A 43 -13.197 -21.742 4.276 1.00 0.00 N ATOM 0 H ARG A 43 -11.180 -15.348 1.698 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.287 -17.220 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.125 -15.985 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.434 -17.015 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.252 -18.587 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.871 -17.737 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.981 -19.553 5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.927 -18.380 5.929 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.838 -19.674 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.283 -20.699 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.176 -22.122 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.971 -21.503 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.252 -22.574 3.689 1.00 0.00 H new ATOM 650 N PRO A 44 -14.519 -14.951 2.426 1.00 0.00 N ATOM 651 CA PRO A 44 -15.377 -13.779 2.628 1.00 0.00 C ATOM 652 C PRO A 44 -16.017 -13.754 4.013 1.00 0.00 C ATOM 653 O PRO A 44 -16.544 -12.728 4.444 1.00 0.00 O ATOM 654 CB PRO A 44 -16.452 -13.925 1.545 1.00 0.00 C ATOM 655 CG PRO A 44 -16.459 -15.376 1.205 1.00 0.00 C ATOM 656 CD PRO A 44 -15.044 -15.846 1.378 1.00 0.00 C ATOM 0 HA PRO A 44 -14.810 -12.850 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.427 -13.600 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.219 -13.316 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.136 -15.927 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.801 -15.536 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.001 -16.892 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.475 -15.760 0.452 1.00 0.00 H new ATOM 664 N GLU A 45 -15.970 -14.887 4.708 1.00 0.00 N ATOM 665 CA GLU A 45 -16.546 -14.987 6.044 1.00 0.00 C ATOM 666 C GLU A 45 -15.638 -14.327 7.076 1.00 0.00 C ATOM 667 O GLU A 45 -16.108 -13.803 8.086 1.00 0.00 O ATOM 668 CB GLU A 45 -16.778 -16.453 6.414 1.00 0.00 C ATOM 669 CG GLU A 45 -15.553 -17.331 6.217 1.00 0.00 C ATOM 670 CD GLU A 45 -15.693 -18.685 6.883 1.00 0.00 C ATOM 671 OE1 GLU A 45 -16.369 -18.765 7.930 1.00 0.00 O ATOM 672 OE2 GLU A 45 -15.125 -19.666 6.358 1.00 0.00 O ATOM 0 H GLU A 45 -15.540 -15.747 4.368 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.503 -14.466 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.092 -16.511 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.597 -16.846 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.379 -17.471 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.677 -16.822 6.619 1.00 0.00 H new ATOM 679 N LEU A 46 -14.336 -14.357 6.815 1.00 0.00 N ATOM 680 CA LEU A 46 -13.360 -13.761 7.720 1.00 0.00 C ATOM 681 C LEU A 46 -13.266 -12.255 7.504 1.00 0.00 C ATOM 682 O LEU A 46 -13.110 -11.787 6.376 1.00 0.00 O ATOM 683 CB LEU A 46 -11.987 -14.405 7.516 1.00 0.00 C ATOM 684 CG LEU A 46 -11.938 -15.915 7.753 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.517 -16.434 7.591 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.478 -16.255 9.134 1.00 0.00 C ATOM 0 H LEU A 46 -13.932 -14.788 5.984 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.691 -13.942 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.655 -14.202 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.274 -13.924 8.186 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.568 -16.402 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.501 -17.510 7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.165 -16.223 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.865 -15.941 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.436 -17.334 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.874 -15.758 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.511 -15.918 9.214 1.00 0.00 H new ATOM 698 N SER A 47 -13.363 -11.498 8.593 1.00 0.00 N ATOM 699 CA SER A 47 -13.290 -10.043 8.522 1.00 0.00 C ATOM 700 C SER A 47 -11.852 -9.563 8.696 1.00 0.00 C ATOM 701 O SER A 47 -10.967 -10.338 9.054 1.00 0.00 O ATOM 702 CB SER A 47 -14.184 -9.414 9.591 1.00 0.00 C ATOM 703 OG SER A 47 -15.476 -9.138 9.078 1.00 0.00 O ATOM 0 H SER A 47 -13.492 -11.868 9.535 1.00 0.00 H new ATOM 0 HA SER A 47 -13.641 -9.733 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.264 -10.087 10.444 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.729 -8.492 9.954 1.00 0.00 H new ATOM 0 HG SER A 47 -16.029 -8.738 9.781 1.00 0.00 H new ATOM 709 N GLU A 48 -11.629 -8.278 8.441 1.00 0.00 N ATOM 710 CA GLU A 48 -10.300 -7.693 8.569 1.00 0.00 C ATOM 711 C GLU A 48 -9.782 -7.828 9.997 1.00 0.00 C ATOM 712 O GLU A 48 -8.589 -8.033 10.218 1.00 0.00 O ATOM 713 CB GLU A 48 -10.327 -6.218 8.162 1.00 0.00 C ATOM 714 CG GLU A 48 -10.592 -6.002 6.681 1.00 0.00 C ATOM 715 CD GLU A 48 -11.005 -4.577 6.364 1.00 0.00 C ATOM 716 OE1 GLU A 48 -10.122 -3.695 6.344 1.00 0.00 O ATOM 717 OE2 GLU A 48 -12.210 -4.345 6.136 1.00 0.00 O ATOM 0 H GLU A 48 -12.352 -7.622 8.144 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.627 -8.234 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.096 -5.704 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.373 -5.760 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.694 -6.251 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.375 -6.685 6.352 1.00 0.00 H new ATOM 724 N SER A 49 -10.687 -7.711 10.963 1.00 0.00 N ATOM 725 CA SER A 49 -10.322 -7.820 12.371 1.00 0.00 C ATOM 726 C SER A 49 -9.718 -9.189 12.671 1.00 0.00 C ATOM 727 O SER A 49 -8.728 -9.296 13.394 1.00 0.00 O ATOM 728 CB SER A 49 -11.547 -7.585 13.257 1.00 0.00 C ATOM 729 OG SER A 49 -12.114 -6.309 13.013 1.00 0.00 O ATOM 0 H SER A 49 -11.679 -7.541 10.797 1.00 0.00 H new ATOM 0 HA SER A 49 -9.574 -7.057 12.587 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.291 -8.359 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.262 -7.666 14.306 1.00 0.00 H new ATOM 0 HG SER A 49 -12.896 -6.183 13.590 1.00 0.00 H new ATOM 735 N GLU A 50 -10.322 -10.232 12.111 1.00 0.00 N ATOM 736 CA GLU A 50 -9.845 -11.594 12.318 1.00 0.00 C ATOM 737 C GLU A 50 -8.614 -11.875 11.463 1.00 0.00 C ATOM 738 O GLU A 50 -7.730 -12.633 11.861 1.00 0.00 O ATOM 739 CB GLU A 50 -10.951 -12.599 11.988 1.00 0.00 C ATOM 740 CG GLU A 50 -12.223 -12.391 12.793 1.00 0.00 C ATOM 741 CD GLU A 50 -12.144 -13.005 14.177 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.042 -13.008 14.763 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.185 -13.482 14.675 1.00 0.00 O ATOM 0 H GLU A 50 -11.143 -10.160 11.510 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.568 -11.701 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.188 -12.530 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.579 -13.608 12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.420 -11.323 12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.065 -12.826 12.254 1.00 0.00 H new ATOM 750 N LEU A 51 -8.565 -11.260 10.287 1.00 0.00 N ATOM 751 CA LEU A 51 -7.443 -11.443 9.374 1.00 0.00 C ATOM 752 C LEU A 51 -6.139 -10.977 10.013 1.00 0.00 C ATOM 753 O LEU A 51 -5.070 -11.518 9.732 1.00 0.00 O ATOM 754 CB LEU A 51 -7.688 -10.679 8.071 1.00 0.00 C ATOM 755 CG LEU A 51 -8.680 -11.338 7.110 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.849 -10.495 5.857 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.220 -12.743 6.753 1.00 0.00 C ATOM 0 H LEU A 51 -9.290 -10.630 9.943 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.358 -12.507 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.051 -9.681 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.735 -10.554 7.556 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.647 -11.409 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.558 -10.979 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.224 -9.508 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.887 -10.392 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.937 -13.198 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.242 -12.695 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.152 -13.345 7.659 1.00 0.00 H new ATOM 769 N THR A 52 -6.236 -9.969 10.874 1.00 0.00 N ATOM 770 CA THR A 52 -5.064 -9.429 11.553 1.00 0.00 C ATOM 771 C THR A 52 -4.374 -10.504 12.388 1.00 0.00 C ATOM 772 O THR A 52 -3.152 -10.497 12.541 1.00 0.00 O ATOM 773 CB THR A 52 -5.463 -8.253 12.445 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.375 -7.402 11.774 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.287 -7.409 12.885 1.00 0.00 C ATOM 0 H THR A 52 -7.114 -9.510 11.118 1.00 0.00 H new ATOM 0 HA THR A 52 -4.364 -9.080 10.794 1.00 0.00 H new ATOM 0 HB THR A 52 -5.918 -8.702 13.328 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.620 -6.657 12.361 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.640 -6.593 13.515 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.587 -8.026 13.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.785 -7.000 12.008 1.00 0.00 H new ATOM 783 N ARG A 53 -5.165 -11.427 12.926 1.00 0.00 N ATOM 784 CA ARG A 53 -4.629 -12.508 13.746 1.00 0.00 C ATOM 785 C ARG A 53 -3.921 -13.546 12.881 1.00 0.00 C ATOM 786 O ARG A 53 -2.889 -14.094 13.271 1.00 0.00 O ATOM 787 CB ARG A 53 -5.751 -13.174 14.545 1.00 0.00 C ATOM 788 CG ARG A 53 -6.552 -12.202 15.396 1.00 0.00 C ATOM 789 CD ARG A 53 -5.717 -11.640 16.536 1.00 0.00 C ATOM 790 NE ARG A 53 -5.252 -10.284 16.256 1.00 0.00 N ATOM 791 CZ ARG A 53 -6.013 -9.198 16.384 1.00 0.00 C ATOM 792 NH1 ARG A 53 -7.272 -9.306 16.790 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.513 -8.002 16.106 1.00 0.00 N ATOM 0 H ARG A 53 -6.178 -11.448 12.809 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.903 -12.081 14.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.426 -13.681 13.855 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.321 -13.940 15.190 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.915 -11.385 14.773 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.428 -12.708 15.801 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.308 -11.639 17.452 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.859 -12.289 16.711 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.289 -10.161 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.661 -10.224 17.006 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.850 -8.471 16.886 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.546 -7.913 15.794 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.095 -7.170 16.204 1.00 0.00 H new ATOM 807 N LEU A 54 -4.480 -13.810 11.705 1.00 0.00 N ATOM 808 CA LEU A 54 -3.902 -14.782 10.784 1.00 0.00 C ATOM 809 C LEU A 54 -2.702 -14.190 10.053 1.00 0.00 C ATOM 810 O LEU A 54 -1.745 -14.897 9.736 1.00 0.00 O ATOM 811 CB LEU A 54 -4.953 -15.244 9.774 1.00 0.00 C ATOM 812 CG LEU A 54 -4.562 -16.469 8.947 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.697 -17.738 9.774 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.415 -16.557 7.690 1.00 0.00 C ATOM 0 H LEU A 54 -5.333 -13.364 11.367 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.564 -15.641 11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.876 -15.466 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.169 -14.420 9.094 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.519 -16.364 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.414 -18.599 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.044 -17.676 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.730 -17.850 10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.123 -17.435 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.466 -16.638 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.268 -15.661 7.087 1.00 0.00 H new ATOM 826 N LEU A 55 -2.759 -12.889 9.790 1.00 0.00 N ATOM 827 CA LEU A 55 -1.676 -12.201 9.097 1.00 0.00 C ATOM 828 C LEU A 55 -0.430 -12.124 9.974 1.00 0.00 C ATOM 829 O LEU A 55 0.694 -12.238 9.484 1.00 0.00 O ATOM 830 CB LEU A 55 -2.115 -10.793 8.690 1.00 0.00 C ATOM 831 CG LEU A 55 -3.218 -10.742 7.633 1.00 0.00 C ATOM 832 CD1 LEU A 55 -4.001 -9.442 7.741 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.626 -10.894 6.239 1.00 0.00 C ATOM 0 H LEU A 55 -3.544 -12.290 10.046 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.433 -12.771 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.459 -10.265 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.247 -10.252 8.314 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.903 -11.571 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.782 -9.423 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.455 -9.372 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.328 -8.598 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.425 -10.856 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.920 -10.085 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.109 -11.851 6.166 1.00 0.00 H new ATOM 845 N ALA A 56 -0.638 -11.929 11.272 1.00 0.00 N ATOM 846 CA ALA A 56 0.468 -11.837 12.217 1.00 0.00 C ATOM 847 C ALA A 56 1.109 -13.200 12.446 1.00 0.00 C ATOM 848 O ALA A 56 2.309 -13.298 12.704 1.00 0.00 O ATOM 849 CB ALA A 56 -0.013 -11.249 13.535 1.00 0.00 C ATOM 0 H ALA A 56 -1.562 -11.832 11.693 1.00 0.00 H new ATOM 0 HA ALA A 56 1.224 -11.177 11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.823 -11.186 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.418 -10.252 13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.789 -11.888 13.957 1.00 0.00 H new ATOM 855 N ARG A 57 0.302 -14.252 12.349 1.00 0.00 N ATOM 856 CA ARG A 57 0.791 -15.612 12.546 1.00 0.00 C ATOM 857 C ARG A 57 1.504 -16.120 11.297 1.00 0.00 C ATOM 858 O ARG A 57 2.527 -16.798 11.386 1.00 0.00 O ATOM 859 CB ARG A 57 -0.365 -16.546 12.903 1.00 0.00 C ATOM 860 CG ARG A 57 0.046 -17.714 13.785 1.00 0.00 C ATOM 861 CD ARG A 57 -1.134 -18.623 14.092 1.00 0.00 C ATOM 862 NE ARG A 57 -1.373 -19.588 13.021 1.00 0.00 N ATOM 863 CZ ARG A 57 -2.090 -20.700 13.172 1.00 0.00 C ATOM 864 NH1 ARG A 57 -2.637 -20.992 14.345 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.260 -21.523 12.146 1.00 0.00 N ATOM 0 H ARG A 57 -0.693 -14.189 12.135 1.00 0.00 H new ATOM 0 HA ARG A 57 1.505 -15.599 13.370 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.140 -15.973 13.411 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.805 -16.933 11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.829 -18.288 13.289 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.468 -17.337 14.717 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.949 -19.155 15.025 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.028 -18.018 14.242 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.967 -19.399 12.105 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.510 -20.363 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.185 -21.845 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.842 -21.304 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.809 -22.375 12.261 1.00 0.00 H new ATOM 879 N MET A 58 0.955 -15.788 10.132 1.00 0.00 N ATOM 880 CA MET A 58 1.538 -16.212 8.865 1.00 0.00 C ATOM 881 C MET A 58 2.941 -15.637 8.693 1.00 0.00 C ATOM 882 O MET A 58 3.830 -16.296 8.155 1.00 0.00 O ATOM 883 CB MET A 58 0.648 -15.775 7.699 1.00 0.00 C ATOM 884 CG MET A 58 -0.502 -16.730 7.422 1.00 0.00 C ATOM 885 SD MET A 58 -0.692 -17.103 5.668 1.00 0.00 S ATOM 886 CE MET A 58 -0.792 -15.453 4.980 1.00 0.00 C ATOM 0 H MET A 58 0.108 -15.227 10.040 1.00 0.00 H new ATOM 0 HA MET A 58 1.609 -17.300 8.871 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.244 -14.785 7.912 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.259 -15.684 6.801 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.338 -17.658 7.971 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.428 -16.296 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.780 -15.299 4.545 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.624 -14.719 5.768 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.033 -15.335 4.207 1.00 0.00 H new ATOM 896 N TRP A 59 3.131 -14.404 9.154 1.00 0.00 N ATOM 897 CA TRP A 59 4.425 -13.742 9.051 1.00 0.00 C ATOM 898 C TRP A 59 5.492 -14.511 9.823 1.00 0.00 C ATOM 899 O TRP A 59 6.642 -14.601 9.392 1.00 0.00 O ATOM 900 CB TRP A 59 4.331 -12.309 9.577 1.00 0.00 C ATOM 901 CG TRP A 59 5.587 -11.518 9.377 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.436 -11.068 10.345 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.136 -11.083 8.127 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.481 -10.380 9.775 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.318 -10.375 8.415 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.743 -11.223 6.793 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.109 -9.810 7.418 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.529 -10.662 5.804 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.701 -9.963 6.122 1.00 0.00 C ATOM 0 H TRP A 59 2.405 -13.845 9.602 1.00 0.00 H new ATOM 0 HA TRP A 59 4.710 -13.717 7.999 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.507 -11.800 9.078 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.092 -12.335 10.640 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.306 -11.229 11.405 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.252 -9.945 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.841 -11.760 6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.013 -9.270 7.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.235 -10.764 4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.294 -9.536 5.327 1.00 0.00 H new ATOM 920 N ASN A 60 5.104 -15.063 10.968 1.00 0.00 N ATOM 921 CA ASN A 60 6.028 -15.825 11.800 1.00 0.00 C ATOM 922 C ASN A 60 6.427 -17.129 11.119 1.00 0.00 C ATOM 923 O ASN A 60 7.541 -17.621 11.300 1.00 0.00 O ATOM 924 CB ASN A 60 5.395 -16.121 13.162 1.00 0.00 C ATOM 925 CG ASN A 60 4.810 -14.881 13.809 1.00 0.00 C ATOM 926 OD1 ASN A 60 4.941 -13.774 13.288 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.159 -15.062 14.953 1.00 0.00 N ATOM 0 H ASN A 60 4.157 -14.997 11.341 1.00 0.00 H new ATOM 0 HA ASN A 60 6.925 -15.224 11.946 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.611 -16.868 13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.147 -16.552 13.823 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.744 -14.265 15.435 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.075 -15.998 15.349 1.00 0.00 H new ATOM 934 N ASP A 61 5.510 -17.684 10.331 1.00 0.00 N ATOM 935 CA ASP A 61 5.767 -18.931 9.621 1.00 0.00 C ATOM 936 C ASP A 61 6.722 -18.708 8.452 1.00 0.00 C ATOM 937 O ASP A 61 7.476 -19.604 8.075 1.00 0.00 O ATOM 938 CB ASP A 61 4.454 -19.531 9.113 1.00 0.00 C ATOM 939 CG ASP A 61 3.798 -20.437 10.137 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.450 -21.409 10.574 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.633 -20.175 10.502 1.00 0.00 O ATOM 0 H ASP A 61 4.584 -17.289 10.169 1.00 0.00 H new ATOM 0 HA ASP A 61 6.233 -19.627 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.767 -18.726 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.645 -20.096 8.201 1.00 0.00 H new ATOM 946 N LEU A 62 6.684 -17.506 7.884 1.00 0.00 N ATOM 947 CA LEU A 62 7.548 -17.167 6.758 1.00 0.00 C ATOM 948 C LEU A 62 9.018 -17.327 7.130 1.00 0.00 C ATOM 949 O LEU A 62 9.370 -17.360 8.308 1.00 0.00 O ATOM 950 CB LEU A 62 7.279 -15.732 6.299 1.00 0.00 C ATOM 951 CG LEU A 62 5.943 -15.519 5.585 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.760 -14.054 5.222 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.860 -16.393 4.342 1.00 0.00 C ATOM 0 H LEU A 62 6.066 -16.752 8.184 1.00 0.00 H new ATOM 0 HA LEU A 62 7.324 -17.853 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.317 -15.076 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.083 -15.424 5.631 1.00 0.00 H new ATOM 0 HG LEU A 62 5.139 -15.807 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.804 -13.921 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.776 -13.450 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.568 -13.739 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.903 -16.230 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.671 -16.135 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.946 -17.441 4.628 1.00 0.00 H new ATOM 965 N SER A 63 9.872 -17.426 6.116 1.00 0.00 N ATOM 966 CA SER A 63 11.305 -17.583 6.337 1.00 0.00 C ATOM 967 C SER A 63 12.060 -16.326 5.919 1.00 0.00 C ATOM 968 O SER A 63 11.511 -15.456 5.243 1.00 0.00 O ATOM 969 CB SER A 63 11.832 -18.791 5.560 1.00 0.00 C ATOM 970 OG SER A 63 11.809 -19.961 6.359 1.00 0.00 O ATOM 0 H SER A 63 9.597 -17.400 5.134 1.00 0.00 H new ATOM 0 HA SER A 63 11.468 -17.746 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.227 -18.945 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.851 -18.596 5.225 1.00 0.00 H new ATOM 0 HG SER A 63 12.149 -20.719 5.839 1.00 0.00 H new ATOM 976 N GLU A 64 13.323 -16.238 6.325 1.00 0.00 N ATOM 977 CA GLU A 64 14.155 -15.086 5.992 1.00 0.00 C ATOM 978 C GLU A 64 14.274 -14.918 4.480 1.00 0.00 C ATOM 979 O GLU A 64 14.446 -13.805 3.981 1.00 0.00 O ATOM 980 CB GLU A 64 15.545 -15.240 6.611 1.00 0.00 C ATOM 981 CG GLU A 64 15.595 -14.884 8.089 1.00 0.00 C ATOM 982 CD GLU A 64 16.660 -13.852 8.406 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.361 -12.643 8.319 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.796 -14.254 8.741 1.00 0.00 O ATOM 0 H GLU A 64 13.793 -16.950 6.885 1.00 0.00 H new ATOM 0 HA GLU A 64 13.679 -14.195 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.879 -16.269 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.247 -14.607 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.622 -14.504 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.785 -15.787 8.670 1.00 0.00 H new ATOM 991 N LYS A 65 14.182 -16.029 3.756 1.00 0.00 N ATOM 992 CA LYS A 65 14.280 -16.004 2.301 1.00 0.00 C ATOM 993 C LYS A 65 13.088 -15.276 1.687 1.00 0.00 C ATOM 994 O LYS A 65 13.255 -14.373 0.867 1.00 0.00 O ATOM 995 CB LYS A 65 14.358 -17.429 1.750 1.00 0.00 C ATOM 996 CG LYS A 65 15.759 -18.019 1.785 1.00 0.00 C ATOM 997 CD LYS A 65 15.722 -19.539 1.797 1.00 0.00 C ATOM 998 CE LYS A 65 17.081 -20.134 1.461 1.00 0.00 C ATOM 999 NZ LYS A 65 17.080 -20.804 0.131 1.00 0.00 N ATOM 0 H LYS A 65 14.040 -16.958 4.153 1.00 0.00 H new ATOM 0 HA LYS A 65 15.189 -15.466 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.689 -18.069 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.997 -17.432 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.322 -17.674 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.285 -17.660 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.404 -19.888 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.982 -19.891 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.835 -19.346 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.362 -20.854 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.024 -21.196 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.379 -21.572 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.836 -20.112 -0.606 1.00 0.00 H new ATOM 1013 N LYS A 66 11.886 -15.676 2.088 1.00 0.00 N ATOM 1014 CA LYS A 66 10.665 -15.063 1.576 1.00 0.00 C ATOM 1015 C LYS A 66 10.439 -13.690 2.201 1.00 0.00 C ATOM 1016 O LYS A 66 9.909 -12.785 1.557 1.00 0.00 O ATOM 1017 CB LYS A 66 9.463 -15.968 1.852 1.00 0.00 C ATOM 1018 CG LYS A 66 9.358 -17.147 0.899 1.00 0.00 C ATOM 1019 CD LYS A 66 8.048 -17.898 1.082 1.00 0.00 C ATOM 1020 CE LYS A 66 8.245 -19.178 1.880 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.018 -20.020 1.890 1.00 0.00 N ATOM 0 H LYS A 66 11.731 -16.422 2.766 1.00 0.00 H new ATOM 0 HA LYS A 66 10.776 -14.935 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.527 -16.342 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.550 -15.376 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.435 -16.793 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.194 -17.826 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.329 -17.257 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.626 -18.138 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.072 -19.747 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.522 -18.928 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.193 -20.883 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.235 -19.487 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.767 -20.280 0.915 1.00 0.00 H new ATOM 1035 N LYS A 67 10.841 -13.544 3.459 1.00 0.00 N ATOM 1036 CA LYS A 67 10.679 -12.281 4.171 1.00 0.00 C ATOM 1037 C LYS A 67 11.492 -11.172 3.507 1.00 0.00 C ATOM 1038 O LYS A 67 11.128 -9.998 3.575 1.00 0.00 O ATOM 1039 CB LYS A 67 11.102 -12.438 5.634 1.00 0.00 C ATOM 1040 CG LYS A 67 9.934 -12.657 6.583 1.00 0.00 C ATOM 1041 CD LYS A 67 10.184 -13.832 7.515 1.00 0.00 C ATOM 1042 CE LYS A 67 9.322 -13.745 8.764 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.084 -13.213 9.928 1.00 0.00 N ATOM 0 H LYS A 67 11.281 -14.284 4.006 1.00 0.00 H new ATOM 0 HA LYS A 67 9.626 -12.004 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.790 -13.280 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.649 -11.547 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.768 -11.754 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.025 -12.835 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.974 -14.764 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.236 -13.855 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.463 -13.103 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.933 -14.734 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.461 -13.169 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.889 -13.839 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.434 -12.259 9.707 1.00 0.00 H new ATOM 1057 N ALA A 68 12.593 -11.552 2.868 1.00 0.00 N ATOM 1058 CA ALA A 68 13.456 -10.589 2.193 1.00 0.00 C ATOM 1059 C ALA A 68 12.688 -9.808 1.132 1.00 0.00 C ATOM 1060 O ALA A 68 13.027 -8.665 0.822 1.00 0.00 O ATOM 1061 CB ALA A 68 14.649 -11.298 1.570 1.00 0.00 C ATOM 0 H ALA A 68 12.909 -12.520 2.803 1.00 0.00 H new ATOM 0 HA ALA A 68 13.816 -9.878 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.285 -10.568 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.220 -11.803 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.298 -12.032 0.844 1.00 0.00 H new ATOM 1067 N LYS A 69 11.654 -10.432 0.577 1.00 0.00 N ATOM 1068 CA LYS A 69 10.839 -9.796 -0.452 1.00 0.00 C ATOM 1069 C LYS A 69 10.218 -8.501 0.064 1.00 0.00 C ATOM 1070 O LYS A 69 10.294 -7.461 -0.591 1.00 0.00 O ATOM 1071 CB LYS A 69 9.738 -10.750 -0.921 1.00 0.00 C ATOM 1072 CG LYS A 69 10.231 -11.827 -1.873 1.00 0.00 C ATOM 1073 CD LYS A 69 9.075 -12.619 -2.465 1.00 0.00 C ATOM 1074 CE LYS A 69 9.293 -12.904 -3.942 1.00 0.00 C ATOM 1075 NZ LYS A 69 8.539 -14.105 -4.397 1.00 0.00 N ATOM 0 H LYS A 69 11.361 -11.378 0.823 1.00 0.00 H new ATOM 0 HA LYS A 69 11.488 -9.555 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.286 -11.225 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.954 -10.173 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.808 -11.368 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.903 -12.502 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.962 -13.559 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.147 -12.063 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.983 -12.038 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.357 -13.051 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.716 -14.263 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.852 -14.937 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.521 -13.955 -4.243 1.00 0.00 H new ATOM 1089 N TYR A 70 9.601 -8.572 1.239 1.00 0.00 N ATOM 1090 CA TYR A 70 8.964 -7.405 1.840 1.00 0.00 C ATOM 1091 C TYR A 70 9.981 -6.555 2.595 1.00 0.00 C ATOM 1092 O TYR A 70 9.892 -5.327 2.605 1.00 0.00 O ATOM 1093 CB TYR A 70 7.845 -7.841 2.787 1.00 0.00 C ATOM 1094 CG TYR A 70 6.944 -8.910 2.209 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.882 -8.576 1.379 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.156 -10.253 2.496 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.057 -9.551 0.850 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.336 -11.233 1.970 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.288 -10.876 1.148 1.00 0.00 C ATOM 1100 OH TYR A 70 4.469 -11.850 0.623 1.00 0.00 O ATOM 0 H TYR A 70 9.528 -9.425 1.794 1.00 0.00 H new ATOM 0 HA TYR A 70 8.539 -6.802 1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.287 -8.211 3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.242 -6.971 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.698 -7.538 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.975 -10.535 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.235 -9.275 0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.515 -12.273 2.201 1.00 0.00 H new ATOM 0 HH TYR A 70 4.769 -12.731 0.930 1.00 0.00 H new ATOM 1110 N LYS A 71 10.947 -7.214 3.227 1.00 0.00 N ATOM 1111 CA LYS A 71 11.979 -6.516 3.985 1.00 0.00 C ATOM 1112 C LYS A 71 12.765 -5.562 3.089 1.00 0.00 C ATOM 1113 O LYS A 71 13.265 -4.535 3.547 1.00 0.00 O ATOM 1114 CB LYS A 71 12.927 -7.523 4.642 1.00 0.00 C ATOM 1115 CG LYS A 71 12.699 -7.685 6.137 1.00 0.00 C ATOM 1116 CD LYS A 71 12.383 -9.127 6.502 1.00 0.00 C ATOM 1117 CE LYS A 71 13.649 -9.929 6.753 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.296 -10.359 5.483 1.00 0.00 N ATOM 0 H LYS A 71 11.037 -8.230 3.229 1.00 0.00 H new ATOM 0 HA LYS A 71 11.490 -5.929 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.808 -8.492 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.956 -7.206 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.587 -7.358 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.878 -7.041 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.755 -9.149 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.811 -9.590 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.350 -9.328 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.409 -10.807 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.174 -10.874 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.649 -10.981 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.518 -9.523 4.906 1.00 0.00 H new ATOM 1132 N ALA A 72 12.873 -5.911 1.811 1.00 0.00 N ATOM 1133 CA ALA A 72 13.599 -5.085 0.853 1.00 0.00 C ATOM 1134 C ALA A 72 12.785 -3.859 0.454 1.00 0.00 C ATOM 1135 O ALA A 72 13.319 -2.755 0.347 1.00 0.00 O ATOM 1136 CB ALA A 72 13.964 -5.902 -0.376 1.00 0.00 C ATOM 0 H ALA A 72 12.468 -6.759 1.415 1.00 0.00 H new ATOM 0 HA ALA A 72 14.515 -4.738 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.505 -5.274 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.593 -6.742 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.055 -6.277 -0.846 1.00 0.00 H new ATOM 1142 N ARG A 73 11.490 -4.060 0.235 1.00 0.00 N ATOM 1143 CA ARG A 73 10.601 -2.971 -0.153 1.00 0.00 C ATOM 1144 C ARG A 73 10.405 -1.984 0.995 1.00 0.00 C ATOM 1145 O ARG A 73 10.064 -0.822 0.774 1.00 0.00 O ATOM 1146 CB ARG A 73 9.248 -3.526 -0.599 1.00 0.00 C ATOM 1147 CG ARG A 73 9.334 -4.439 -1.811 1.00 0.00 C ATOM 1148 CD ARG A 73 8.128 -5.360 -1.904 1.00 0.00 C ATOM 1149 NE ARG A 73 7.659 -5.511 -3.279 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.862 -6.495 -3.688 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.444 -7.418 -2.831 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.483 -6.558 -4.956 1.00 0.00 N ATOM 0 H ARG A 73 11.032 -4.968 0.320 1.00 0.00 H new ATOM 0 HA ARG A 73 11.064 -2.440 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.800 -4.076 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.581 -2.695 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.403 -3.837 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.245 -5.035 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.387 -6.339 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.321 -4.964 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 73 7.960 -4.821 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.734 -7.375 -1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.833 -8.170 -3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.802 -5.852 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.872 -7.313 -5.269 1.00 0.00 H new ATOM 1166 N GLU A 74 10.620 -2.454 2.222 1.00 0.00 N ATOM 1167 CA GLU A 74 10.465 -1.610 3.403 1.00 0.00 C ATOM 1168 C GLU A 74 11.314 -0.347 3.293 1.00 0.00 C ATOM 1169 O GLU A 74 10.865 0.746 3.639 1.00 0.00 O ATOM 1170 CB GLU A 74 10.851 -2.388 4.663 1.00 0.00 C ATOM 1171 CG GLU A 74 10.689 -1.590 5.946 1.00 0.00 C ATOM 1172 CD GLU A 74 11.532 -2.135 7.082 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.766 -2.227 6.914 1.00 0.00 O ATOM 1174 OE2 GLU A 74 10.957 -2.473 8.138 1.00 0.00 O ATOM 0 H GLU A 74 10.902 -3.413 2.423 1.00 0.00 H new ATOM 0 HA GLU A 74 9.418 -1.314 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.239 -3.288 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.888 -2.713 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.963 -0.552 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.640 -1.594 6.242 1.00 0.00 H new ATOM 1181 N ALA A 75 12.541 -0.504 2.807 1.00 0.00 N ATOM 1182 CA ALA A 75 13.451 0.625 2.652 1.00 0.00 C ATOM 1183 C ALA A 75 12.899 1.647 1.665 1.00 0.00 C ATOM 1184 O ALA A 75 13.176 2.842 1.773 1.00 0.00 O ATOM 1185 CB ALA A 75 14.820 0.139 2.201 1.00 0.00 C ATOM 0 H ALA A 75 12.928 -1.401 2.514 1.00 0.00 H new ATOM 0 HA ALA A 75 13.551 1.114 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.490 0.991 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.226 -0.546 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.726 -0.377 1.245 1.00 0.00 H new ATOM 1191 N ALA A 76 12.116 1.170 0.701 1.00 0.00 N ATOM 1192 CA ALA A 76 11.527 2.045 -0.305 1.00 0.00 C ATOM 1193 C ALA A 76 10.197 2.618 0.170 1.00 0.00 C ATOM 1194 O ALA A 76 9.814 3.724 -0.214 1.00 0.00 O ATOM 1195 CB ALA A 76 11.341 1.289 -1.612 1.00 0.00 C ATOM 0 H ALA A 76 11.876 0.184 0.596 1.00 0.00 H new ATOM 0 HA ALA A 76 12.210 2.879 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.900 1.952 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.308 0.935 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.681 0.437 -1.449 1.00 0.00 H new ATOM 1201 N LEU A 77 9.494 1.859 1.004 1.00 0.00 N ATOM 1202 CA LEU A 77 8.204 2.295 1.530 1.00 0.00 C ATOM 1203 C LEU A 77 8.384 3.284 2.676 1.00 0.00 C ATOM 1204 O LEU A 77 7.560 4.176 2.874 1.00 0.00 O ATOM 1205 CB LEU A 77 7.391 1.088 2.006 1.00 0.00 C ATOM 1206 CG LEU A 77 6.830 0.204 0.890 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.858 -1.259 1.303 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.415 0.632 0.534 1.00 0.00 C ATOM 0 H LEU A 77 9.794 0.940 1.330 1.00 0.00 H new ATOM 0 HA LEU A 77 7.665 2.797 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.022 0.476 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.562 1.446 2.617 1.00 0.00 H new ATOM 0 HG LEU A 77 7.458 0.323 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.455 -1.872 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.885 -1.559 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.253 -1.396 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.031 -0.007 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.776 0.542 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.423 1.668 0.195 1.00 0.00 H new ATOM 1220 N LYS A 78 9.466 3.120 3.431 1.00 0.00 N ATOM 1221 CA LYS A 78 9.751 3.998 4.559 1.00 0.00 C ATOM 1222 C LYS A 78 9.875 5.450 4.105 1.00 0.00 C ATOM 1223 O LYS A 78 9.569 6.375 4.858 1.00 0.00 O ATOM 1224 CB LYS A 78 11.038 3.559 5.263 1.00 0.00 C ATOM 1225 CG LYS A 78 10.930 3.559 6.779 1.00 0.00 C ATOM 1226 CD LYS A 78 12.196 3.024 7.430 1.00 0.00 C ATOM 1227 CE LYS A 78 11.881 2.029 8.535 1.00 0.00 C ATOM 1228 NZ LYS A 78 11.995 2.644 9.886 1.00 0.00 N ATOM 0 H LYS A 78 10.159 2.387 3.281 1.00 0.00 H new ATOM 0 HA LYS A 78 8.919 3.927 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.304 2.557 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.850 4.222 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.740 4.573 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.078 2.951 7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.819 2.545 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.773 3.853 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.872 1.641 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.561 1.180 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.772 1.933 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.965 2.992 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.328 3.438 9.963 1.00 0.00 H new